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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 | ||
| Ligand | BDBM50378288 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_589414 (CHEMBL1058435) | ||
| IC50 | 0.09±n/a nM | ||
| Citation |  Trova, MP; Barnes, KD; Alicea, L; Benanti, T; Bielaska, M; Bilotta, J; Bliss, B; Duong, TN; Haydar, S; Herr, RJ; Hui, Y; Johnson, M; Lehman, JM; Peace, D; Rainka, M; Snider, P; Salamone, S; Tregay, S; Zheng, X; Friedrich, TD Heterobiaryl purine derivatives as potent antiproliferative agents: inhibitors of cyclin dependent kinases. Part II. Bioorg Med Chem Lett19:6613-7 (2009) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 | |||
| Name: | Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 | ||
| Synonyms: | CDK2/Cyclin A/Cyclin A1 | Cyclin A1/A2/dependent kinase 2 | Cyclin-dependent kinase 2/cyclin A | ||
| Type: | n/a | ||
| Mol. Mass.: | n/a | ||
| Description: | ASSAY_ID of EBI is 42813 | ||
| Components: | This complex has 3 components. | ||
| Component 1 | |||
| Name: | Cyclin-A2 | ||
| Synonyms: | CCN1 | CCNA | CCNA1 | CCNA2 | CCNA2_HUMAN | Cyclin A | Cyclin-A | ||
| Type: | Enzyme Subunit | ||
| Mol. Mass.: | 48550.19 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P20248 | ||
| Residue: | 432 | ||
| Sequence: |
| ||
| Component 2 | |||
| Name: | Cyclin-A1 | ||
| Synonyms: | CCNA1 | CCNA1_HUMAN | CDK2/Cyclin A1 | Cyclin-A1 | Cyclin-A1/Cyclin-dependent kinase 4 | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 52343.37 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P78396 | ||
| Residue: | 465 | ||
| Sequence: |
| ||
| Component 3 | |||
| Name: | Cyclin-dependent kinase 2 | ||
| Synonyms: | CDK2 | CDK2-Kinase | CDK2_HUMAN | CDKN2 | Cell division protein kinase 2 | Cyclin-dependent kinase 2 (CDK2) | Protein cereblon/Cyclin-dependent kinase 2 | p33 protein kinase | ||
| Type: | Enzyme Subunit | ||
| Mol. Mass.: | 33938.17 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P24941 | ||
| Residue: | 298 | ||
| Sequence: |
| ||
| Component 4 | |||
| Name: | Cyclin-A2 | ||
| Synonyms: | CCN1 | CCNA | CCNA1 | CCNA2 | CCNA2_HUMAN | Cyclin A | Cyclin-A | ||
| Type: | Enzyme Subunit | ||
| Mol. Mass.: | 48550.19 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P20248 | ||
| Residue: | 432 | ||
| Sequence: |
| ||
| BDBM50378288 | |||
| n/a | |||
| Name | BDBM50378288 | ||
| Synonyms: | CHEMBL567434 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H31N9 | ||
| Mol. Mass. | 457.5739 | ||
| SMILES | CC(C)n1cnc2c(NCc3ccc(nc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(14.81,-30.86,;15.83,-29.71,;17.34,-30.01,;15.34,-28.25,;16.23,-27,;15.32,-25.76,;13.86,-26.25,;12.53,-25.49,;12.52,-23.95,;11.18,-23.19,;9.85,-23.96,;8.52,-23.2,;7.19,-23.98,;7.2,-25.52,;8.55,-26.28,;9.87,-25.5,;5.88,-26.3,;5.89,-27.83,;4.57,-28.61,;3.22,-27.85,;3.21,-26.31,;4.54,-25.53,;11.2,-26.26,;11.2,-27.8,;9.87,-28.58,;9.88,-30.12,;11.21,-30.88,;11.21,-32.43,;9.88,-33.2,;9.88,-34.74,;8.54,-32.43,;8.54,-30.89,;12.54,-28.57,;13.88,-27.78,)| | ||
| Structure | 
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